Different shapes of spin textures as a journey through the Brillouin zone

Author(s)

Acosta, Carlos Mera ^{[1, 2]} ; Yuan, Linding ^[2] ; Dalpian, Gustavo M. ^[1] ; Zunger, Alex ^[2]

Affiliation

^[1] Fed Univ ABC, Ctr Nat & Human Sci, Santo Andre, SP - Brazil

^[2] Univ Colorado, Renewable & Sustainable Energy Inst, Boulder, CO 80309 - USA

• Document type: Journal article
• Source: Physical Review B; v. 104, n. 10 SEP 7 2021.
• Web of Science Citations: 0

Abstract

Crystallographic point group symmetry (CPGS) such as polar and nonpolar crystal classes have long been known to classify compounds that have spin-orbit-induced spin splitting. While taking a journey through the Brillouin zone (BZ) from one k-point to another for a fixed CPGS, it is expected that the wave vector point group symmetry (WPGS) can change, and consequently, a qualitative change in the texture of the spin polarization can occur {[}the expectation value of spin operator (S)over-right-arrow(nk0) in Bloch state u(n, k) and the wave vector k(0)]. However, the nature of the spin texture (ST) change is generally unsuspected. In this paper, we determine a full classification of the linear-in-k ST patterns based on the polarity and chirality reflected in the WPGS at k(0). The spin-polarization vector (S)over-right-arrow(nk0) controlling the ST is bound to be parallel to the rotation axis and perpendicular to the mirror planes, and hence, symmetry operation types in WPGSs impose symmetry restriction to the ST. For instance, the ST is always parallel to the wave vector k in nonpolar chiral WPGSs since they contain only rotational symmetries. Some consequences of the ST classification based on the symmetry operations in the WPGS include the observation of ST patterns that are unexpected according to the symmetry of the crystal. For example, it is usually established that spin-momentum locking effect (spin vector always perpendicular to the wave vector) requires the crystal inversion symmetry breaking by an asymmetric electric potential. However, we find that polar WPGS can have this effect even in compounds without electric dipoles or external electric fields. We use the determined relation between WPGS and ST as a design principle to select compounds with multiple STs near band edges at different k valleys. Based on high-throughput calculations for 1481 compounds, we find 37 previously fabricated materials with different STs near band edges. The ST classification as well as the predicted compounds with multiple STs can be a platform for potential application for spin-valleytronics and the control of the ST by accessing different valleys. (AU)

• FAPESP's process: 18/11856-7 - Interface-induced effects in quantum materials
• Grantee: Carlos Augusto Mera Acosta
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• FAPESP's process: 19/03663-7 - Interface-induced effects in Quantum Materials: Rashba/ferroeletric interfaces
• Grantee: Carlos Augusto Mera Acosta
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor
• FAPESP's process: 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties
• Grantee: Adalberto Fazzio
• Support Opportunities: Research Projects - Thematic Grants